(2R)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide

Systemtic Name: (2R)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanophenyl)propionamide Formula: C20H21ClN5O3+ MolecularWeight: 414.86544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O3/c1-14(20(27)23-17-5-3-2-4-15(17)13-22)24-8-10-25(11-9-24)18-7-6-16(21)12-19(18)26(28)29/h2-7,12,14H,8-11H2,1H3,(H,23,27)/p+1/t14-/m1/s1